AC1N94A1 structure

AC1N94A1

17-(2,3-dihydro-1,4-benzodioxin-6-yl)-14-methyl-13-[(4-methylphenyl)methyl]-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-12-one

Also Known As: 11-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-2-methyl-3-(4-methylbenzyl)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one|11-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-3-(4-methylbenzyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one

CAS: 836633-79-5
Molecular Formula C29H23N5O3
Molecular Weight 489.18008 g/mol
LogP 4.71994
Topological Polar Surface Area 84.06 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 6
Rotatable Bonds 3
Exact Mass 489.18008
Monoisotopic Mass 489.18008
Heavy Atoms 37
Complexity 1904.2457

Chemical Identifiers

CAS Number 836633-79-5
SMILES CC1=CC=C(C=C1)CN2C(=NC3=C(C2=O)C4=NC5=CC=CC=C5N=C4N3C6=CC7=C(C=C6)OCCO7)C

Product Overview

AC1N94A1 (CAS 836633-79-5), with molecular formula C29H23N5O3 and molecular weight 489.18008 g/mol. IUPAC: 17-(2,3-dihydro-1,4-benzodioxin-6-yl)-14-methyl-13-[(4-methylphenyl)methyl]-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-12-one.

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